Fragment-064-notum-screen
Not inhibitor of Notum IC50 >1000 microM
General
Type : Urea derivative, Fragment inhibitor of Notum, Sulfur Compound
Chemical_Nomenclature : N-(4-methyl-1,3-thiazol-2-yl)propanamide
Canonical SMILES : CCC(=O)NC1=NC(=CS1)C
InChI : InChI=1S\/C7H10N2OS\/c1-3-6(10)9-7-8-5(2)4-11-7\/h4H,3H2,1-2H3,(H,8,9,10)
InChIKey : AIOZNYOAFODHNA-UHFFFAOYSA-N
Other name(s) : N-(4-methyl-1,3-thiazol-2-yl)propanamide || N-(4-Methylthiazol-2-yl)propionamide || JFP || SCHEMBL4097866 || CHEMBL4096653 || ZINC69044
MW : 170.23
Formula : C7H10N2OS
CAS_number : 13808-59-8
PubChem : 3613666
UniChem : AIOZNYOAFODHNA-UHFFFAOYSA-N
Target
Families : Fragment-064-notum-screen ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B7Y
Protein :
human-NOTUM
References (1)
| Title : Structural Analysis and Development of Notum Fragment Screening Hits - Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| Author(s) : Zhao Y , Mahy W , Willis NJ , Woodward HL , Steadman D , Bayle ED , Atkinson BN , Sipthorp J , Vecchia L , Ruza RR , Harlos K , Jeganathan F , Constantinou S , Costa A , Kjaer S , Bictash M , Salinas PC , Whiting P , Vincent JP , Fish PV , Jones EY |
| Ref : ACS Chem Neurosci , 13 :2060 , 2022 |
| Abstract : |
| PubMedSearch : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedID: 35731924 |
| Gene_locus related to this paper: human-NOTUM |